Charge: 0
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H
Electronic States
Energy
(eV)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.06000
Diff mu Y
(Debye)
-0.61200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04400
0.08226
0.00000
2
-0.04400
0.08226
0.00000
3
-0.02256
0.03159
0.00000
4
0.00894
-0.02050
0.00000
5
0.00894
-0.02050
0.00000
6
-0.02256
0.03158
0.00000
7
-0.00406
-0.03011
0.00000
8
0.03294
-0.04511
0.00000
9
0.03294
-0.04512
0.00000
10
-0.00406
-0.03011
0.00000
11
-0.01317
-0.01696
0.00000
12
0.05366
-0.00168
0.00000
13
0.05366
-0.00168
0.00000
14
-0.01317
-0.01696
0.00000
15
-0.02057
0.03187
0.00000
16
-0.02057
0.03187
0.00000
17
0.05835
-0.09026
0.00000
18
0.05835
-0.09026
0.00000
19
0.00631
0.06339
0.00000
20
0.00631
0.06339
0.00000
21
-0.05137
0.00793
0.00000
22
-0.05137
0.00793
0.00000
23
-0.04557
0.01056
0.00000
24
-0.04557
0.01055
0.00000
25
0.00637
-0.14240
0.00000
26
0.00637
-0.14240
0.00000
27
-0.06464
0.08763
0.00000
28
-0.06464
0.08763
0.00000
29
0.05927
-0.02005
0.00000
30
0.05927
-0.02005
0.00000
31
0.03633
-0.05585
0.00000
32
0.03633
-0.05585
0.00000
33
-0.04491
-0.02776
0.00000
34
-0.04491
-0.02776
0.00000